autodock
Here are 20 public repositories matching this topic...
Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera
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Feb 1, 2019 - Python
A simple batch submission script to submit jobs to AutoDock Vina on Linux and MacOS developed by Bhavesh Ashok.
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Jul 21, 2020 - Shell
High-throughput molecular docking with multiple targets and ligands using Vina series engines
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Sep 9, 2020 - Python
Test task for the position of a specialist in structural bioinformatics in the BIOCAD Corporation
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Jan 15, 2021 - Python
Compilations of hands-on project Biomolecular simulations
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May 7, 2021 - Python
AutoDock molecular docking for the NEC SX-Aurora TSUBASA
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Oct 5, 2021 - C
Examines ligand interactions with predicted protein structures
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Apr 23, 2022 - Jupyter Notebook
A script to run docking experiments in AutoDock Vina for several ligands at once with technical replicates.
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Aug 16, 2022 - Python
package for docking ros2 robots. (based off fetch open auto dock)
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Mar 18, 2023 - C++
Molecular docking is one of the molecular modeling methods that predicts the preferred orientation of one molecule (ligand) to another (receptor) when bound to each other to form a stable complex (lowest energy state).
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Aug 26, 2023
Taller de docking molecular y dinámica molecular
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Sep 6, 2023 - Jupyter Notebook
Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.
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Sep 21, 2023
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
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Oct 30, 2023 - Jupyter Notebook
A simple turtlebot 3 Aruco Autodocking Algorithm
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Jan 19, 2024 - Python
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